N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

C19H19N3O4S2 — CID 53104812

IUPACN-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1
InChIInChI=1S/C19H19N3O4S2/c1-12(23)14-7-4-8-16(9-14)22-28(24,25)17-10-15(11-27-17)18-20-19(26-21-18)13-5-2-3-6-13/h4,7-11,13,22H,2-3,5-6H2,1H3
InChIKeyYGBYMIYDAXMGGK-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.46
Rot. Bonds6

About N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53104812) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID53104812
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1
InChIInChI=1S/C19H19N3O4S2/c1-12(23)14-7-4-8-16(9-14)22-28(24,25)17-10-15(11-27-17)18-20-19(26-21-18)13-5-2-3-6-13/h4,7-11,13,22H,2-3,5-6H2,1H3
InChIKeyYGBYMIYDAXMGGK-UHFFFAOYSA-N
XLogP4.46
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53042733
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
CID 50828976
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 53104812) is N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is YGBYMIYDAXMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12(23)14-7-4-8-16(9-14)22-28(24,25)17-10-15(11-27-17)18-20-19(26-21-18)13-5-2-3-6-13/h4,7-11,13,22H,2-3,5-6H2,1H3.
What are the key properties of N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 417.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53104812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).